6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

C18H17N5O — CID 109120841

IUPAC6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)NCc2ccccn2)nn1
InChIInChI=1S/C18H17N5O/c1-13-6-2-3-8-15(13)21-17-10-9-16(22-23-17)18(24)20-12-14-7-4-5-11-19-14/h2-11H,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyLRYAGDKQSZUXLL-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.85
Rot. Bonds5

About 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide

6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109120841) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID109120841
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1ccccc1Nc1ccc(C(=O)NCc2ccccn2)nn1
InChIInChI=1S/C18H17N5O/c1-13-6-2-3-8-15(13)21-17-10-9-16(22-23-17)18(24)20-12-14-7-4-5-11-19-14/h2-11H,12H2,1H3,(H,20,24)(H,21,23)
InChIKeyLRYAGDKQSZUXLL-UHFFFAOYSA-N
XLogP2.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
6-(4-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120843
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
6-(4-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120863
N-[(2-fluorophenyl)methyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109119334
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 15994894
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947490

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide (CID 109120841) is 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is Cc1ccccc1Nc1ccc(C(=O)NCc2ccccn2)nn1.
What is the InChIKey of 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is LRYAGDKQSZUXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-6-2-3-8-15(13)21-17-10-9-16(22-23-17)18(24)20-12-14-7-4-5-11-19-14/h2-11H,12H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide?
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109120841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).